structure of 5-Aminoquinoxalin-2(1H)-one

5-Aminoquinoxalin-2(1H)-one

CAS No.: 1002129-56-7
M. Wt: 161.16100
M. Fa: C8H7N3O
InChI Key: UNKJKGPIDUUPDM-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of 5-Aminoquinoxalin-2(1H)-one

CAS Number

1002129-56-7

MDL Number

MFCD22571050

IUPAC Name

5-amino-1H-quinoxalin-2-one

InChI

InChI=1S/C8H7N3O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4H,9H2,(H,11,12)

InChIKey

UNKJKGPIDUUPDM-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C2C(=C1)NC(=O)C=N2)N

UNSPSC Code

12352100

Physical and chemical properties of 5-Aminoquinoxalin-2(1H)-one

Exact Mass

161.05900

LogP

1.08650

Molecular Formula

C8H7N3O

Molecular Weight

161.16100

PSA

71.77000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Safety Information of 5-Aminoquinoxalin-2(1H)-one

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 5-Aminoquinoxalin-2(1H)-one

5-Aminoquinoxalin-2(1H)-one finds applications in various fields:

  • Pharmaceuticals: Due to its biological activity, it serves as a lead compound for developing new drugs targeting specific diseases.
  • Chemical Research: It acts as a building block in synthetic organic chemistry for creating more complex molecules.
  • Fluorescent Probes: Its derivatives are explored for use in fluorescence-based applications due to their photophysical properties.

Interaction Studies of 5-Aminoquinoxalin-2(1H)-one

Interaction studies of 5-Aminoquinoxalin-2(1H)-one focus on its binding affinity and inhibitory effects on specific enzymes. Research indicates that it can interact with cytochrome P450 enzymes and potentially other targets involved in metabolic pathways. These interactions are critical for understanding its pharmacological profile and optimizing its therapeutic potential.

Biological Activity of 5-Aminoquinoxalin-2(1H)-one

5-Aminoquinoxalin-2(1H)-one exhibits significant biological activities, particularly as an inhibitor of various enzymes. Notably, it has been identified as a selective inhibitor of cytochrome P450 enzymes, specifically CYP1A2, which is involved in drug metabolism. This inhibition can affect the pharmacokinetics of co-administered drugs. Additionally, derivatives of this compound have shown promise in anti-cancer and anti-inflammatory activities.

Physical sample testing spectrum (NMR) of 5-Aminoquinoxalin-2(1H)-one

Physical sample testing spectrum (NMR) of 5-Aminoquinoxalin-2(1H)-one